Local density functional theory of atoms and molecules RG Parr, SR Gadre, LJ Bartolotti Proceedings of the National Academy of Sciences 76 (6), 2522-2526, 1979 | 27170 | 1979 |
Structure and Stability of Water Clusters (H2O)n, n = 8−20: An Ab Initio Investigation S Maheshwary, N Patel, N Sathyamurthy, AD Kulkarni, SR Gadre The Journal of Physical Chemistry A 105 (46), 10525-10537, 2001 | 579 | 2001 |
Significant progress in predicting the crystal structures of small organic molecules–a report on the fourth blind test GM Day, TG Cooper, AJ Cruz-Cabeza, KE Hejczyk, HL Ammon, ... Acta Crystallographica Section B: Structural Science 65 (2), 107-125, 2009 | 474 | 2009 |
Some novel characteristics of atomic information entropies SR Gadre, SB Sears, SJ Chakravorty, RD Bendale Physical Review A 32 (5), 2602, 1985 | 298 | 1985 |
Electrostatics of atoms and molecules SR Gadre, RN Shirsat Universities Press, 2000 | 278 | 2000 |
SCRF calculation of the effect of water on the topology of the molecular electrostatic potential FJ Luque, M Orozco, PK Bhadane, SR Gadre The Journal of Physical Chemistry 97 (37), 9380-9384, 1993 | 240 | 1993 |
Molecular electrostatic potentials: A topographical study SR Gadre, SA Kulkarni, IH Shrivastava The Journal of chemical physics 96 (7), 5253-5260, 1992 | 236 | 1992 |
Maximal and minimal characteristics of molecular electrostatic potentials RK Pathak, SR Gadre The Journal of chemical physics 93 (3), 1770-1773, 1990 | 218 | 1990 |
Shapes and sizes of molecular anions via topographical analysis of electrostatic potential SR Gadre, IH Shrivastava The Journal of chemical physics 94 (6), 4384-4390, 1991 | 214 | 1991 |
Molecular tailoring approach for simulation of electrostatic properties SR Gadre, RN Shirsat, AC Limaye The Journal of Physical Chemistry 98 (37), 9165-9169, 1994 | 202 | 1994 |
Quantum chemical investigations on molecular clusters SR Gadre, SD Yeole, N Sahu Chemical reviews 114 (24), 12132-12173, 2014 | 192 | 2014 |
An information theoretic synthesis and analysis of Compton profiles SB Sears, SR Gadre The Journal of Chemical Physics 75 (9), 4626-4635, 1981 | 168 | 1981 |
Ab initio quality one‐electron properties of large molecules: Development and testing of molecular tailoring approach K Babu, SR Gadre Journal of computational chemistry 24 (4), 484-495, 2003 | 165 | 2003 |
Clar's aromatic sextet theory revisited via molecular electrostatic potential topography CH Suresh, SR Gadre The Journal of Organic Chemistry 64 (7), 2505-2512, 1999 | 146 | 1999 |
Information entropy and Thomas-Fermi theory SR Gadre Physical Review A 30 (1), 620, 1984 | 144 | 1984 |
UNIVIS-2000: an indigenously developed comprehensive visualization package AC Limaye, SR Gadre Current Science 80 (10), 1296-1301, 2001 | 137 | 2001 |
Ab initio structure and vibrational frequencies of (CF3SO2) 2N-Li+ ion pairs SP Gejji, CH Suresh, K Babu, SR Gadre The Journal of Physical Chemistry A 103 (37), 7474-7480, 1999 | 126 | 1999 |
Electronegativities of the elements from simple. CHI.. alpha. theory LJ Bartolotti, SR Gadre, RG Parr Journal of the American Chemical Society 102 (9), 2945-2948, 1980 | 126 | 1980 |
Topography of molecular scalar fields. I. Algorithm and Poincaré–Hopf relation P Balanarayan, SR Gadre The Journal of chemical physics 119 (10), 5037-5043, 2003 | 125 | 2003 |
A novel electrostatic approach to substituent constants: doubly substituted benzenes CH Suresh, SR Gadre Journal of the American Chemical Society 120 (28), 7049-7055, 1998 | 117 | 1998 |